cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

C34H36N4O4 — CID 44580806

IUPACcis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NO)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)NCC1CCNCC1
InChIInChI=1S/C34H36N4O4/c39-32(38-41)29-20-34(29,33(40)36-21-24-14-16-35-17-15-24)19-23-10-12-27(13-11-23)42-22-26-18-31(25-6-2-1-3-7-25)37-30-9-5-4-8-28(26)30/h1-13,18,24,29,35,41H,14-17,19-22H2,(H,36,40)(H,38,39)/t29-,34+/m1/s1
InChIKeyLZHATKQUQHRBAF-SJHOIFEDSA-N
MW564.69 g/mol
LogP4.65
Rot. Bonds10

About cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 44580806) has the molecular formula C34H36N4O4 and a molecular weight of 564.69 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID44580806
Molecular FormulaC34H36N4O4
Molecular Weight564.69 g/mol
Exact Mass564.27
IUPAC Namecis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NO)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)NCC1CCNCC1
InChIInChI=1S/C34H36N4O4/c39-32(38-41)29-20-34(29,33(40)36-21-24-14-16-35-17-15-24)19-23-10-12-27(13-11-23)42-22-26-18-31(25-6-2-1-3-7-25)37-30-9-5-4-8-28(26)30/h1-13,18,24,29,35,41H,14-17,19-22H2,(H,36,40)(H,38,39)/t29-,34+/m1/s1
InChIKeyLZHATKQUQHRBAF-SJHOIFEDSA-N
XLogP4.65
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.69
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 44580806) is cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is O=C(NO)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)NCC1CCNCC1.
What is the InChIKey of cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is LZHATKQUQHRBAF-SJHOIFEDSA-N. The full InChI is InChI=1S/C34H36N4O4/c39-32(38-41)29-20-34(29,33(40)36-21-24-14-16-35-17-15-24)19-23-10-12-27(13-11-23)42-22-26-18-31(25-6-2-1-3-7-25)37-30-9-5-4-8-28(26)30/h1-13,18,24,29,35,41H,14-17,19-22H2,(H,36,40)(H,38,39)/t29-,34+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 564.69 g/mol, XLogP of 4.65, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(piperidin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 44580806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).